MMPBSA calculation using NAMD

From: sudipta (sudipta.mml_at_gmail.com)
Date: Wed Sep 11 2013 - 07:37:57 CDT

• Next message: Francesco Pietra: "Does stray PME charges with T-REMD mean insufficient resources and can explicit water abandoned for implicit GB?"
• Previous message: Vlastimil Zíma: "Re: NAMD CUDA performance"
• Next in thread: Aron Broom: "Re: MMPBSA calculation using NAMD"
• Reply: Aron Broom: "Re: MMPBSA calculation using NAMD"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hi All,

Can anyone give some suggestions how do I perform MMPBSA calculation in
combination with alanine scanning using NAMD?

Best
Sudipta

• Next message: Francesco Pietra: "Does stray PME charges with T-REMD mean insufficient resources and can explicit water abandoned for implicit GB?"
• Previous message: Vlastimil Zíma: "Re: NAMD CUDA performance"
• Next in thread: Aron Broom: "Re: MMPBSA calculation using NAMD"
• Reply: Aron Broom: "Re: MMPBSA calculation using NAMD"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:21:39 CST